2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one

C14H24N2O4 — CID 82217198

IUPAC2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one
SMILESCCN(CCO)Cc1c(O)c(=O)cc(C)n1CCCO
InChIInChI=1S/C14H24N2O4/c1-3-15(6-8-18)10-12-14(20)13(19)9-11(2)16(12)5-4-7-17/h9,17-18,20H,3-8,10H2,1-2H3
InChIKeyFDUNFVPZWLLIBX-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.06
Rot. Bonds8

About 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one

2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one (PubChem CID 82217198) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one
PubChem CID82217198
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one
SMILESCCN(CCO)Cc1c(O)c(=O)cc(C)n1CCCO
InChIInChI=1S/C14H24N2O4/c1-3-15(6-8-18)10-12-14(20)13(19)9-11(2)16(12)5-4-7-17/h9,17-18,20H,3-8,10H2,1-2H3
InChIKeyFDUNFVPZWLLIBX-UHFFFAOYSA-N
XLogP0.06
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one?
The IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one (CID 82217198) is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one.
What is the SMILES notation for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one?
The canonical SMILES for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one is CCN(CCO)Cc1c(O)c(=O)cc(C)n1CCCO.
What is the InChIKey of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one?
The InChIKey is FDUNFVPZWLLIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-15(6-8-18)10-12-14(20)13(19)9-11(2)16(12)5-4-7-17/h9,17-18,20H,3-8,10H2,1-2H3.
What are the key properties of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one?
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one has a molecular weight of 284.36 g/mol, XLogP of 0.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one is sourced from PubChem (CID 82217198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).